Study : bsu15880 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: MLC_A_3(4A0Z) / Model_17(4A0Z/B) = [3.5] Download1573.5723.60MRRNKRERQELLQQTIQATPFITDEELAGKFGVSIQTIRLDRLELSIPELRERIKNVAEKTLEDEVKSLSLDEVIGEIIDLELDDQAISILEIKQEHVFSRNQIARGHHLFAQANSLAVAVIDDELALTASADIRFTRQVKQGERVVAKAKVTAVEKEKGRTVVEVNSYVGEEIVFSGRFDMYRSKHS
Complex: MLC_B_4(4A0Z) / Model_39(4A0Z/A) = [3.6] Download1250.5428.29MRRNKRERQELLQQTIQATPFITDEELAGKFGVSIQTIRLDRLELSIPELRERIKNVAEKTLEDEVKSLSLDEVIGEIIDLELDDQAISILEIKQEHVFSRNQIARGHHLFAQANSLAVAVIDDELALTASADIRFTRQVKQGERVVAKAKVTAVEKEKGRTVVEVNSYVGEEIVFSGRFDMYRSKHS
Consensus
[pKd Mean = 3.55]
-1412
(s=161)
25
(s=2)
MRRNKRERQELLQQTIQATPFITDEELAGKFGVSIQTIRLDRLELSIPELRERIKNVAEKTLEDEVKSLSLDEVIGEIIDLELDDQAISILEIKQEHVFSRNQIARGHHLFAQANSLAVAVIDDELALTASADIRFTRQVKQGERVVAKAKVTAVEKEKGRTVVEVNSYVGEEIVFSGRFDMYRSKHS